N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide

C15H22FN2O+ — CID 8583450

IUPACN-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[NH+]2CCCC[C@@H]2C)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-11-6-7-14(13(16)9-11)17-15(19)10-18-8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)/p+1/t12-/m0/s1
InChIKeyRQVVQMIDEBSEDT-LBPRGKRZSA-O
MW265.35 g/mol
LogP1.53
Rot. Bonds3

About N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide

N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide (PubChem CID 8583450) has the molecular formula C15H22FN2O+ and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
PubChem CID8583450
Molecular FormulaC15H22FN2O+
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[NH+]2CCCC[C@@H]2C)c(F)c1
InChIInChI=1S/C15H21FN2O/c1-11-6-7-14(13(16)9-11)17-15(19)10-18-8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)/p+1/t12-/m0/s1
InChIKeyRQVVQMIDEBSEDT-LBPRGKRZSA-O
XLogP1.53
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dichlorophenyl)-2-[(2R)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2655213
2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9135435
2-(cyclopentylamino)-N-(2-fluoro-4-methylphenyl)acetamide
CID 60648408
N-(3,4-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide
CID 2697923
N-(2-fluoro-4-methylphenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583449
N-(2-fluoro-4-methylphenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 17403289
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8583312
N-(2-ethylphenyl)-2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8623341
2-[(2R)-2-methylpiperidin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide
CID 2697959
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-[[2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetyl]amino]-N-phenylbenzamide
CID 8583080
2-[(2S)-2-methylpiperidin-1-ium-1-yl]-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 8583454

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide (CID 8583450) is N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide is Cc1ccc(NC(=O)C[NH+]2CCCC[C@@H]2C)c(F)c1.
What is the InChIKey of N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
The InChIKey is RQVVQMIDEBSEDT-LBPRGKRZSA-O. The full InChI is InChI=1S/C15H21FN2O/c1-11-6-7-14(13(16)9-11)17-15(19)10-18-8-4-3-5-12(18)2/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,17,19)/p+1/t12-/m0/s1.
What are the key properties of N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide?
N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide has a molecular weight of 265.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylphenyl)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8583450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).